(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid

C13H25NO5Si — CID 163183585

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(=O)O
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-10(11(15)16)14(8-9)12(17)18-4/h9-10H,7-8H2,1-6H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyLVSGWPSATDCKPD-QVDQXJPCSA-N
MW303.43 g/mol
LogP2.30
Rot. Bonds3

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 163183585) has the molecular formula C13H25NO5Si and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID163183585
Molecular FormulaC13H25NO5Si
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(=O)O
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-10(11(15)16)14(8-9)12(17)18-4/h9-10H,7-8H2,1-6H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyLVSGWPSATDCKPD-QVDQXJPCSA-N
XLogP2.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-Boc-cis-4-hydroxy-L-proline methyl ester
CID 10752873
(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 88804
(2S,4S)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 688614
(2S,4R)-methyl 1-acetyl-4-hydroxypyrrolidine-2-carboxylate
CID 14104451
(2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 6951202
(2R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 11459222
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 15222286
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 15222287
(4S)-1-(tert-Butoxycarbonyl)-4-hydroxyproline
CID 59123153
1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 335255
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
CID 646507
(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 2734883

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid (CID 163183585) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid is COC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is LVSGWPSATDCKPD-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-10(11(15)16)14(8-9)12(17)18-4/h9-10H,7-8H2,1-6H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 303.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163183585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).